Glycoside
GD133230
Name:
5-hydroxy-6-methyl-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C23H22O10Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(C)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.42 | Num_heavy_atoms: | 33 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD50280
Formula: C17H12O6
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 100.9 | NumAromaticRings: | 2 |
